Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials.
- DOI
- 10.1021/acs.jctc.2c01233
- Published
- 2023 Mar 14
- Container
- Journal of chemical theory and computation
- Publisher
- Not recorded
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1021/acs.jctc.2c01233,
title = {Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials.},
author = {Plé T and Mauger N and Adjoua O and Inizan TJ and Lagardère L and Huppert S and Piquemal JP},
year = {2023},
journal = {Journal of chemical theory and computation},
doi = {10.1021/acs.jctc.2c01233},
url = {https://doi.org/10.1021/acs.jctc.2c01233}
}RIS
TY - JOUR TI - Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials. AU - Plé T AU - Mauger N AU - Adjoua O AU - Inizan TJ AU - Lagardère L AU - Huppert S AU - Piquemal JP PY - 2023 JO - Journal of chemical theory and computation DO - 10.1021/acs.jctc.2c01233 UR - https://doi.org/10.1021/acs.jctc.2c01233 ER -
APA
T, P., N, M., O, A., TJ, I., L, L., S, H., & JP, P. (2023). Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.2c01233
Source records
- pubmed · retrieved 2026-11-10T11:57:58.336Z